Compound Detail
CHEMBL3901073
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Basic Information
| ChEMBL ID | CHEMBL3901073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAKDVUMRVXYBST-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
1.96
ALogP
10
HBA
4
HBD
165.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.66 | 9.66 | 0.2 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.22 | nM | 9.66 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C theta type | IC50 | = | 2.1 | nM | 8.68 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Glycogen synthase kinase-3 beta | IC50 | = | 1300.0 | nM | 5.89 | GSKbeta Assay: Types of GSK-3 assay used to test the selectivity/off target pote... | - |
Data from ChEMBL 36 via Core Engine